AG00BX9M

215922-85-3 | TRANS-1-BOC-3-CYANO-4-HYDROXYPYRROLIDINE

AG00BX9M

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CAS Number	215922-85-3
Catalog Number	AG00BX9M(AGN-PC-0QY55T)
Chemical Name	TRANS-1-BOC-3-CYANO-4-HYDROXYPYRROLIDINE
IUPAC Name	tert-butyl (3R,4R)-3-cyano-4-hydroxypyrrolidine-1-carboxylate
InChI	InChI=1S/C10H16N2O3/c1-10(2,3)15-9(14)12-5-7(4-11)8(13)6-12/h7-8,13H,5-6H2,1-3H3/t7-,8-/m0/s1
InChI Key	IEGAWSYJCQMVBM-YUMQZZPRSA-N
MDL Number	MFCD09608027
Molecular Formula	C10H16N2O3
Molecular Weight	212.2456
SMILES	O=C(N1C[C@H](C#N)[C@@H](O)C1)OC(C)(C)C
Synonyms	215922-85-3, TRANS-1-BOC-3-CYANO-4-HYDROXYPYRROLIDINE, trans-tert-Butyl 3-cyano-4-hydroxypyrrolidine-1-carboxylate, SCHEMBL2738098, MFCD09608027, ZINC26898162, AKOS025290251, FCH3991260, AJ-83150, AK172434, AS-34644, CS-0047870, (3R,4R)-Tert-butyl 3-cyano-4-hydroxypyrrolidine-1-carboxylate, rel-tert-Butyl (3R,4R)-3-cyano-4-hydroxypyrrolidine-1-carboxylate, 895241-94-8, tert-butyl trans-3-cyano-4-hydroxypyrrolidine-1-carboxylate,

Complexity	300
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	212.116g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	212.249g/mol
Monoisotopic Mass	212.116g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	73.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number